[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]acetate CAS Name: 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetate Traditional Name: 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C25H31N3O7S MolecularWeight: 517.59454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C25H31N3O7S/c1-19(29)26-20-7-13-23(14-8-20)36(32,33)27(2)21-9-11-22(12-10-21)34-18-25(31)35-17-24(30)28-15-5-3-4-6-16-28/h7-14H,3-6,15-18H2,1-2H3,(H,26,29)